| Properties | Image |
|---|
| MNX_ID | MNXM160094 |
 |
| reference | lipidmapsM:LMGP15010147 |
| formula | C65H119O33P |
| global charge | 0 |
| mol weight | 1459.608 |
| InChIKey | LVAAVPZYIUEGPB-JNIOPTOESA-N |
| InChI | InChI=1S/C65H119O33P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-42(68)87-33-37(91-43(69)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)34-90-99(85,86)98-61-59(96-64-57(83)49(75)45(71)39(32-67)93-64)53(79)52(78)54(80)60(61)97-65-58(84)51(77)47(73)41(95-65)36-89-63-56(82)50(76)46(72)40(94-63)35-88-62-55(81)48(74)44(70)38(31-66)92-62/h37-41,44-67,70-84H,3-36H2,1-2H3,(H,85,86)/t37-,38-,39-,40-,41-,44-,45-,46-,47-,48+,49+,50+,51+,52-,53-,54+,55+,56+,57+,58+,59+,60+,61-,62+,63+,64-,65-/m1/s1 |
| SMILES | CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O[C@@H]1[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@H](O)[C@@H]1O[C@H]1O[C@H](CO[C@H]2O[C@H](CO[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H](O)[C@H](O)[C@@H]1O)OC(=O)CCCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C65H119O33P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-42(68)87-33-37(91-43(69)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)34-90-99(85,86)98-61-59(96-64-57(83)49(75)45(71)39(32-67)93-64)53(79)52(78)54(80)60(61)97-65-58(84)51(77)47(73)41(95-65)36-89-63-56(82)50(76)46(72)40(94-63)35-88-62-55(81)48(74)44(70)38(31-66)92-62/h37-41,44-67,70-84H,3-36H2,1-2H3,(H,85,86)/t37-,38-,39-,40-,41-,44-,45-,46-,47-,48+,49+,50+,51+,52-,53-,54+,55+,56+,57+,58+,59+,60+,61-,62+,63+,64-,65-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH2:9][CH2:11][CH2:13][CH2:15][CH2:17][CH2:19][CH2:21][CH2:23][CH2:25][CH2:27][CH2:29][C:42](=[O:68])[O:87][CH2:33][C@H:37]([CH2:34][O:90][P:99]([OH:85])(=[O:86])[O:98][C@@H:61]1[C@@H:59]([O:96][C@@H:64]2[C@@H:57]([OH:83])[C@@H:49]([OH:75])[C@H:45]([OH:71])[C@@H:39]([CH2:32][OH:67])[O:93]2)[C@H:53]([OH:79])[C@@H:52]([OH:78])[C@H:54]([OH:80])[C@@H:60]1[O:97][C@@H:65]1[C@@H:58]([OH:84])[C@@H:51]([OH:77])[C@H:47]([OH:73])[C@@H:41]([CH2:36][O:89][C@@H:63]2[C@@H:56]([OH:82])[C@@H:50]([OH:76])[C@H:46]([OH:72])[C@@H:40]([CH2:35][O:88][C@@H:62]3[C@@H:55]([OH:81])[C@@H:48]([OH:74])[C@H:44]([OH:70])[C@@H:38]([CH2:31][OH:66])[O:92]3)[O:94]2)[O:95]1)[O:91][C:43]([CH2:30][CH2:28][CH2:26][CH2:24][CH2:22][CH2:20][CH2:18][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:69] |
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